1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride
TL;DR: 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride (CAS 107831-45-8) is a chemical compound with molecular formula C17H20ClN5O2S and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylpiperazin-1-yl)acetyl]-6-thia-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one;hydrochloride
Also Known As: 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride, 2-[2-(4-Methylpiperazin-1-yl)acetyl]-6-thia-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one;hydrochloride, 4-[(4-Methylpiperazin-1-yl)acetyl]-4,9-dihydro-10H-pyrido[3,2-b]thieno[3,2-e][1,4]diazepin-10-one--hydrogen chloride (1/1), RefChem:240991
| Molecular Formula | C17H20ClN5O2S |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 2.0427 |
| Topological Polar Surface Area | 68.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.10263 |
| Heavy Atoms | 26 |
| Complexity | 818.9895 |
Chemical Identifiers
| CAS Number | 107831-45-8 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)N2C3=C(C(=O)NC4=C2N=CC=C4)SC=C3.Cl |
Product Overview
1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride (CAS 107831-45-8), with molecular formula C17H20ClN5O2S and molecular weight 393.10 g/mol. IUPAC: 2-[2-(4-methylpiperazin-1-yl)acetyl]-6-thia-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one;hydrochloride.
Chemical Property Profile of 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride
Property Insights of 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride
The XLogP value of 2.0427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride. The TPSA of 68.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride. Following Lipinski's Rule of Five, 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride?
The CAS number of 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride is 107831-45-8.
What is the molecular formula of 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride?
The molecular formula of 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride is C17H20ClN5O2S.
What is the molecular weight of 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride?
The molecular weight of 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride is 393.10 g/mol.
Where can I buy 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride?
You can request a quote for 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1OH-Pyrido(3,2-d)thieno(3,2-e)(1,4)-diazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.